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Updated: May 5, 2026

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Published on: September 2, 2020
Spectral deconvolution for overlapping GC/MS components
1Paciftc Analytical, Inc., 6349 Paseo Del Lago, 92009, Carlsbad, CA.
Abstract:
The use of mass chromatogram peak centroids has been investigated as a means of deconvoluting the spectra of overlapping gas chromatography/mass spectrometry components. The peak centroids have been calculated with a precision of 0.04 scans (sd). This proved sufficient to allow deconvolution of the mass spectra belonging to two chemical components which were eluted 0.48 scans apart. For a more complex chromatography peak, it was possible to deconvolute the spectra of six components which were eluted within a 9 scan window. All the spectra produced by using this deconvolution mechanism agreed well with National Institute of Standards and Technology database spectra.
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